![3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one structure](/static/products/6069/606953-74-6.webp)
3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
TL;DR: 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 606953-74-6) is a chemical compound with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-7-cyclohexyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-((4-Chlorophenyl)sulfonyl)-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-((4-chlorophenyl)sulfonyl)-1-cyclohexyl-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-CHLOROPHENYL)SULFONYL]-1-CYCLOHEXYL-2-IMINO-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE, 5-(4-Chlorophenyl)sulfonyl-7-cyclohexyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
| Molecular Formula | C23H21ClN4O3S |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 4.12007 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.1023 |
| Heavy Atoms | 32 |
| Complexity | 1567.7122 |
Chemical Identifiers
| CAS Number | 606953-74-6 |
|---|---|
| SMILES | C1CCC(CC1)N2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3 |
Product Overview
3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 606953-74-6), with molecular formula C23H21ClN4O3S and molecular weight 468.10 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-7-cyclohexyl-6-imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Property Insights of 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
The XLogP value of 4.12007 indicates that 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The CAS number of 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 606953-74-6.
What is the molecular formula of 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular formula of 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is C23H21ClN4O3S.
What is the molecular weight of 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular weight of 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 468.10 g/mol.
Where can I buy 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
You can request a quote for 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorophenyl)sulfonyl]-1-cyclohexyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.